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CAS 1375064-67-7 1-Acetyl-3-broMo-5-fluoroindole molecular structure lightbox
CAS RN: 1375064-67-7

1-Acetyl-3-broMo-5-fluoroindole

  • Product code: SSC-047165
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1375064-67-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1375064-67-7 / 1-(3-bromo-5-fluoroindol-1-yl)ethanone

Standard CAS: 1375064-67-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1375064-67-7
Multi CAS
No
Molecular Formula
C10H7BrFNO
Molecular Weight
256.070000
Exact Mass
254.969500
SMILES
CC(=O)N1C=C(C2=C1C=CC(=C2)F)Br
InChI
InChI=1S/C10H7BrFNO/c1-6(14)13-5-9(11)8-4-7(12)2-3-10(8)13/h2-5H,1H3
InChIKey
FWNMWTABZMXNJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.1
H-bond acceptors
2
Molar refractivity
55.9
TPSA
22

LogP / Solubility

WLOGP
3.2
MLOGP
2.83
XLogP3
2.7
Consensus LogP
2.91
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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